⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3564666 | 0.80 | CCNB2 (0.31) | — | |
| SCHEMBL15458979 | 0.76 | — | — | |
| SCHEMBL18002302 | 0.75 | — | — | |
| SCHEMBL15459042 | 0.73 | — | — | |
| SCHEMBL16148375 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL2160666 | 0.72 | RAB9A (0.35) | — | |
| SCHEMBL3574837 | 0.72 | DRD3 (0.33) | — | |
| SCHEMBL6208359 | 0.72 | — | — | |
| SCHEMBL601887 | 0.72 | GAA (0.30) | — | |
| SCHEMBL15455996 | 0.71 | HTR1A (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3738953-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS WITH IMPROVED PHARMACOKINETIC PROPERTIES AND METHODS FOR THEIR MANUFACTURE | Saint Louis University (US) | 2020-11-18 | — | — | EP | disclosed |
| US-20200199079-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | UNIV SAINT LOUIS (US) | 2020-06-25 | — | — | US | disclosed |
| US-10577330-B2 | Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists | SAINT LOUIS UNIVERSITY (US) | 2020-03-03 | — | — | US | disclosed |
| US-20190023663-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | SAINT LOUIS UNIVERSITY | 2019-01-24 | — | — | US | disclosed |
| US-10035778-B2 | Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists | SAINT LOUIS UNIVERSITY (US) | 2018-07-31 | — | — | US | disclosed |
| US-10035778-B2 | Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists | SAINT LOUIS UNIVERSITY (US) | 2018-07-31 | — | — | US | disclosed |
| US-20180072684-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | SAINT LOUIS UNIVERSITY | 2018-03-15 | — | — | US | disclosed |
| US-20180072684-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | SAINT LOUIS UNIVERSITY | 2018-03-15 | — | — | US | disclosed |
| WO-2017117538-A1 | META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS | SAINT LOUIS UNIVERSITY (US) | 2017-07-06 | — | — | WO | disclosed |